FCCP | A repository of Fragrance Chemicals in Children’s Products

Citral

Chemical identification
Pubchem identifier	638011
CAS identifier	5392-40-5
DSSTOX identifier	DTXSID6024836
IUPAC name	Citral
SMILES	CC(=CCCC(=CC=O)C)C
InChI	InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
InChIKey	WTEVQBCEXWBHNA-JXMROGBWSA-N
Synonyms	3,7-Dimethyl-1,2,6-octadiel; Lemsyn GB; Citral; 2,6-Dimethyloctadien-2,6-al-8; 3,7-Dimethyl-2,6-octadiel; 2,6-Octadiel, 3,7-dimethyl-; 3,7-Dimethyl-trans-2,6-octadiel

Download structure:
2D:MOL MOL2 SDF
3D:MOL MOL2 SDF PDB PDBQT

Odor profile
Odor classes	Citrus, Edible oil, Floral, Herbs
Reference	[1]

Presence in Children's products
Broad category	Diapering, Skin care, Toys
Subcategory	Baby Wipes, Baby Moisturizing Cream and Lotion, Plush Toys, Scented Toys

Chemical classification based on ClassyFire
Chemical kingdom	Organic compounds
Chemical super-class	Lipids and lipid-like molecules
Chemical class	Prenol lipids
Chemical subclass	Monoterpenoids

Natural source for the chemical
Organism	Kingdom	Genus	Family
Citrus	Plantae	Citrus	Rutaceae
Cymbopogon citratus	Plantae	Cymbopogon	Poaceae
Reference	[1], [2], [3]

DISCLAIMER

FCCP is a repository of fragrance chemicals used in children’s products compiled and curated from published scientific literature. We are not responsible for any errors or omission of any chemicals or published scientific studies that reported fragrance chemicals used in children’s products. The users are advised to exercise their own judgement while using our resource. Importantly our goal is to build this resource on fragrance chemicals used in children’s products to enable future research towards better understanding of the hazardous potential of these chemicals and to frame better policy decisions. Hence, the views expressed in this work are solely based on our scientific understanding of the topic, and they do not necessarily reflect the views or policies of our employers or funders.